Synthesis and crystal structure of the tris(cyclopentadienyl)phenyl complex of neodymium, (Li·3DME)[(η5-C5H5)3NdC6H5]

Add time:07/23/2019    Source:sciencedirect.com

(Li·3DME(η5-C5H5)3NdC6H5], 1 was synthesized by the reaction of NdCl3·2LiCl, 2 equivalents of cyclopentadienylsodium and one equivalent of phenyllithium in THF at −78°C, and crystallized from THF and DME. The crystal structure of 1 was determined by X-ray diffraction method at −80°C. The crystal of 1 is triclinic, space group P1 with a = 15.752(6), b = 16.232(3), c = 23.038(7) Å, α = 108.81(2), β = 93.31(3), γ = 108.38(2)°, Z = 6 and D = 1.33 g/cm3. Least-squares refinement (5732 observed reflections) led to a final R of 0.053. The complex consists of disconnected ion pairs of (Li·3DME)+ and [(η5-C5H5)3NdC6H5]−. The neodymium atom was connected to three η5-bonded cyclopentadienyls and one σ-bonded phenyl in a distorted tetrahedral arrangement with Nd-C(σ-) 2.593(17), 2.613(13) and 2.601(13) Å.

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